General Information of the Compound
| Compound ID |
CP0476528
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| Compound Name |
N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
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| Structure |
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| Formula |
C22H16F3N5O3
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| Molecular Weight |
455.396
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)ncc3c2)ccn1
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| InChI |
InChI=1S/C22H16F3N5O3/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-14-2-4-15(5-3-14)33-22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30)
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| InChIKey |
QYLKLGMZRAJRJK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound